4-pentoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 4-pentoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: 4-pentoxy-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(1-benzyl-4-piperidyl)thiocarbamoyl]benzamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2S/c1-2-3-7-18-30-23-12-10-21(11-13-23)24(29)27-25(31)26-22-14-16-28(17-15-22)19-20-8-5-4-6-9-20/h4-6,8-13,22H,2-3,7,14-19H2,1H3,(H2,26,27,29,31)